Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1C[C@H]2[C@@H](O)\C=C3/C[C@@](C)([C@@H](O)C[C@@H]3OC(=O)\C=C\C3=CC=CC=C3)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C

InChIKey

InChIKey=WNOWLWNAESNNDL-IHNXBZDVSA-N

Formula

C33H40O9

Mass

580.674

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Taxanes and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Taxane diterpenoid - Cinnamic acid or derivatives - Cinnamic acid ester - Tricarboxylic acid or derivatives - Styrene - Alpha-acyloxy ketone - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Carboxylic acid derivative - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system.

External Descriptors

Not available

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